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DocumentationIdentifier: MM288564
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288564 |
| SMILES |
CC1C(C#N)N1CCO
|
| InChIKey |
WRAUQYTWOJAHGE-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM127461
Similarity: 0.7622
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| Tanimoto metric | 0.7622 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288372
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| Tanimoto metric | 0.7273 |
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| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM218781
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Similarity to MM218781
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8226 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
